SCHEMBL8496002

SCHEMBL8496002

[NH]C(=O)N1CCNCC1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
RIPK1 Q13546 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SLC18A3 Q16572 1/20 0.40
USP19 O94966 2/20 0.40
MAPK1 P28482 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
BACE1 P56817 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2935422 0.87 DPP4 (0.46) DPP4DPP7RIPK1TAAR1SLC18A3
SCHEMBL20528485 0.87 DPP4 (0.46) DPP4DPP7RIPK1TAAR1SLC18A3
SCHEMBL21801033 0.87 DPP4 (0.46) DPP4DPP7RIPK1TAAR1SLC18A3
SCHEMBL7749807 0.87 RIPK1 (0.46) DPP4DPP7RIPK1TAAR1SLC18A3
Hydrochloric Acid SCHEMBL9258072 0.86 DPP4 (0.46) DPP4DPP7RIPK1TAAR1SLC18A3
SCHEMBL8498489 0.85 DPP4 (0.41) DPP4DPP7RIPK1HTR2AHTR2C
SCHEMBL2386164 0.84 DPP4 (0.47) DPP4DPP7RIPK1TAAR1SLC18A3
SCHEMBL1580100 0.84 POLB (0.54) DPP4DPP7RIPK1TAAR1SLC18A3
SCHEMBL8595774 0.83 SIGMAR1 (0.53) DPP4DPP7RIPK1HTR2CSIGMAR1
Hydrochloric Acid SCHEMBL28773228 0.83 DPP4 (0.46) DPP4DPP7RIPK1TAAR1SLC18A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed